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Ligand

NameSMR000044012
Molecular formulaC23H31N5O2
IUPAC name2-ethylbutyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
Molecular weight409.534
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.7
Synonyms578733-78-5
2-ethylbutyl 2-cyano-2-(3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl)acetate
2-ethylbutyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
AC1LD91H
MLS000040685
[ Show all ]
Inchi KeyACIVIROIWGZWTE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N5O2/c1-4-17(5-2)16-30-23(29)18(15-24)21-22(28-13-11-27(6-3)12-14-28)26-20-10-8-7-9-19(20)25-21/h7-10,17-18H,4-6,11-14,16H2,1-3H3
PubChem CID663230
ChEMBLCHEMBL1580655
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1613Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1615Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
1614Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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